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Structural, electronic, thermodynamic and optical properties of SrS1−xOx mixed crystals

✍ Scribed by S. Labidi; M. Labidi; H. Meradji; S. Ghemid; F. El Haj Hassan

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
261 KB
Volume
404
Category
Article
ISSN
0921-4526

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First principles calculations of structu
First principles calculations of structural, electronic and thermodynamic properties of SrS, SrSe, SrTe compounds and SrS1−xSex alloy
✍ S. Labidi; H. Meradji; M. Labidi; S. Ghemid; S. Drablia; F. El Haj Hassan 📂 Article 📅 2009 🏛 Elsevier 🌐 English ⚖ 320 KB

The ab initio full potential linearized augmented plane wave (FP-LAPW) method within density functional theory was applied to study the structural and electronic properties of the compounds SrS, SrSe, SrTe and their alloy SrS 1-x Se x in the NaCl structure. Results are obtained using both the local